| Pyrene-based chemosensor for picric acid—fundamentals to smartphone device design A Kathiravan, A Gowri, T Khamrang, MD Kumar, N Dhenadhayalan, ... Analytical chemistry 91 (20), 13244-13250, 2019 | 69 | 2019 |
| Substituent Effect on the Photophysics and ESIPT Mechanism of N,N′-Bis(salicylidene)-p-phenylenediamine: A DFT/TD-DFT Analysis N Johnee Britto, M Panneerselvam, M Deepan Kumar, A Kathiravan, ... Journal of Chemical Information and Modeling 61 (4), 1825-1839, 2021 | 24 | 2021 |
| Cyclometalated ruthenium (II) carbonyl complexes containing 2-(biphenylazo) phenolate ligands: Synthesis, structure, DFT study and catalytic activity towards oxidation and … M Ramesh, MD Kumar, M Jaccob, B Therrien, G Venkatachalam Inorganica Chimica Acta 477, 40-50, 2018 | 24 | 2018 |
| Quantum chemical analysis of electronic structure and bonding aspects of choline based ionic liquids DK Madhu, J Madhavan Journal of Molecular Liquids 249, 637-649, 2018 | 23 | 2018 |
| New D–D′–A Configured Dye for Efficient Dye-Sensitized Solar Cells¶ T Khamrang, A Seetharaman, MD Kumar, M Velusamy, M Jaccob, ... The Journal of Physical Chemistry C 122 (39), 22241-22251, 2018 | 21 | 2018 |
| Computational Unravelling of the Role of Alkyl Groups on the Host‐Guest Complexation of Pillar [5] arenes with Neutral Dihalobutanes M Panneerselvam, MD Kumar, M Jaccob, RV Solomon ChemistrySelect 3 (4), 1321-1334, 2018 | 19 | 2018 |
| Dinuclear Pd (II) complexes containing bis-O, N-bidentate Schiff base ligands: Synthesis, characterization, DFT study and application as Suzuki–Miyaura coupling catalysts R Nandhini, G Venkatachalam, MD Kumar, M Jaccob Polyhedron 158, 183-192, 2019 | 14 | 2019 |
| Chromoionophoric probe imbued porous polymer monolith as a Three-in-One Solid-state Naked-eye sensor for the selective sensing and recovery of Ultra-trace Lead, Mercury, and … P Srinivasan, DK Madhu, SP Sivaraman, S Nagarajan, CVSB Rao, ... Chemical Engineering Journal 471, 144627, 2023 | 13 | 2023 |
| Pyrene based chemosensor for carbon dioxide gas–Meticulous investigations and digital image based RGB analysis A Gowri, T Khamrang, M Velusamy, M Kathiresan, MD Kumar, M Jaccob, ... Sensors and Actuators Reports 2 (1), 100007, 2020 | 12 | 2020 |
| Conversion of CO2 to cyclic carbonates by metal-ethylenediamine complexes in ionic liquid: A DFT mechanistic study MD Kumar, S Sunny, M Jaccob Journal of CO2 Utilization 57, 101872, 2022 | 10 | 2022 |
| Ru (III) mediated CH bond activation of N-(naphthyl) salicylaldimine and related Schiff base ligands: Synthesis, structure, DFT study and catalytic activity M Ramesh, MD Kumar, M Jaccob, D Kaleeswaran, G Venkatachalam Inorganic Chemistry Communications 85, 26-31, 2017 | 10 | 2017 |
| The keto–enol tautomerization of ethyl acetoacetate in choline ionic liquids: the role of cation and anion in switching the tautomeric equilibrium MD Kumar, M Jaccob Physical Chemistry Chemical Physics 23 (12), 7386-7397, 2021 | 5 | 2021 |
| Theoretical Investigation of Steric Effect Influence on Reactivity of Substituted Butadienes with Bromocyclobutenone A Adilakshmi, M Deepan Kumar, M Jaccob, V Tamilmani Journal of Chemical Information and Modeling 59 (5), 2231-2241, 2019 | 5 | 2019 |
| Combined experimental and DFT investigation on photovoltaic performance of low-cost metal-free organic dye-sensitized solar cells M Kandasamy, S Suresh, MD Kumar, S Murugesan, M Selvaraj, ... Inorganic Chemistry Communications 164, 112406, 2024 | 4 | 2024 |
| Revealing the non-covalent interactions existing between CO2 and succinimide-based ionic liquid: A DFT exploration MD Kumar, M Jaccob Journal of Molecular Liquids 399, 124325, 2024 | 3 | 2024 |
| Chromoionophore decorated renewable solid-state polymer monolithic naked eye sensor for the selective sensing and recovery of ultra-trace toxic cadmium ions in aqueous environment P Srinivasan, DK Madhu, SP Sivaraman, S Kuppusamy, S Nagarajan, ... Colloids and Surfaces A: Physicochemical and Engineering Aspects 656, 130377, 2023 | 3 | 2023 |
| Molecular Probe Embedded Porous Polymer Scaffold as Solid‐State Visual Sensor for Selective and Sequential Sensing of Ultra‐Trace Toxic Heavy Metal Ions in Environmental … SP Sivaraman, P Srinivasan, DK Madhu, PK Chinaraga, BCVS Rao, ... Advanced Functional Materials 34 (11), 2310851, 2024 | 2 | 2024 |
| Role of anchoring groups on the light harvesting and optoelectronic properties of triphenylamine derivatives: insights from theory A Kathiravan, MD Kumar, M Nagalakshmi Gayathri, J Noel Joseph, ... Journal of Molecular Modeling 29 (3), 79, 2023 | 2 | 2023 |
| Ultrasonic investigation of molecular interaction of thyroxine and anti-tuberculosis drugs and DFT studies D Kumar, M Jaccob, V Kannappan Journal of the Indian Chemical Society 98 (11), 100203, 2021 | 2 | 2021 |
| Mechanism of Pechmann condensation reaction – A quantum mechanical case study with choline-based ionic liquid M. Deepan Kumar, M. Jaccob Journal of Molecular Liquids 387, 122556, 2023 | 1 | 2023 |
Dr. M. Jaccob M.Sc. Ph.D. FASChAssistant Professor, Department of Chemistry, Loyola CollegeVerified email at loyolacollege.edu
